Electronic model for self-assembled hybrid organic/perovskite semiconductors: Reverse band edge electronic states ordering and spin-orbit coupling

Based on density functional theory, the electronic and optical properties of hybrid organic/perovskite crystals are thoroughly investigated. We consider the monocrystalline 4F-PEPI as material model and demonstrate that the optical process is governed by three active Bloch states at the Gamma point of the reduced Brillouin zone with a reverse ordering compared to tetrahedrally bonded semiconductors. Giant spin-orbit coupling effects and optical activities are subsequently inferred from symmetry analysis.


Published in:
Physical Review B, 86, 20
Year:
2012
Publisher:
College Pk, Amer Physical Soc
ISSN:
1098-0121
Laboratories:




 Record created 2013-02-27, last modified 2018-03-17


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